4-butoxy-2-but-1-ynyl-1-(2-phenylethynyl)benzene

Systemtic Name: 4-butoxy-2-but-1-ynyl-1-(2-phenylethynyl)benzene Openeye Name: 4-butoxy-2-but-1-ynyl-1-(2-phenylethynyl)benzene CAS Name: 4-butoxy-2-but-1-ynyl-1-(2-phenylethynyl)benzene IUPAC Name: 4-butoxy-2-but-1-ynyl-1-(2-phenylethynyl)benzene Traditional Name: 4-butoxy-2-but-1-ynyl-1-(2-phenylethynyl)benzene Formula: C22H22O MolecularWeight: 302.40948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCC

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCC

InChI

InChI=1S/C22H22O/c1-3-5-12-21-18-22(23-17-6-4-2)16-15-20(21)14-13-19-10-8-7-9-11-19/h7-11,15-16,18H,3-4,6,17H2,1-2H3